7-bromo-N-(3-nitrophenyl)quinolin-4-amine

C15H10BrN3O2 — CID 50877848

IUPAC7-bromo-N-(3-nitrophenyl)quinolin-4-amine
SMILESO=[N+]([O-])c1cccc(Nc2ccnc3cc(Br)ccc23)c1
InChIInChI=1S/C15H10BrN3O2/c16-10-4-5-13-14(6-7-17-15(13)8-10)18-11-2-1-3-12(9-11)19(20)21/h1-9H,(H,17,18)
InChIKeyNFPQLHJFVBCTRR-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.65
Rot. Bonds3

About 7-bromo-N-(3-nitrophenyl)quinolin-4-amine

7-bromo-N-(3-nitrophenyl)quinolin-4-amine (PubChem CID 50877848) has the molecular formula C15H10BrN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is 7-bromo-N-(3-nitrophenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(3-nitrophenyl)quinolin-4-amine
PubChem CID50877848
Molecular FormulaC15H10BrN3O2
Molecular Weight344.17 g/mol
Exact Mass343.00
IUPAC Name7-bromo-N-(3-nitrophenyl)quinolin-4-amine
SMILESO=[N+]([O-])c1cccc(Nc2ccnc3cc(Br)ccc23)c1
InChIInChI=1S/C15H10BrN3O2/c16-10-4-5-13-14(6-7-17-15(13)8-10)18-11-2-1-3-12(9-11)19(20)21/h1-9H,(H,17,18)
InChIKeyNFPQLHJFVBCTRR-UHFFFAOYSA-N
XLogP4.65
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(3-nitrophenyl)quinolin-4-amine?
The IUPAC name of 7-bromo-N-(3-nitrophenyl)quinolin-4-amine (CID 50877848) is 7-bromo-N-(3-nitrophenyl)quinolin-4-amine.
What is the SMILES notation for 7-bromo-N-(3-nitrophenyl)quinolin-4-amine?
The canonical SMILES for 7-bromo-N-(3-nitrophenyl)quinolin-4-amine is O=[N+]([O-])c1cccc(Nc2ccnc3cc(Br)ccc23)c1.
What is the InChIKey of 7-bromo-N-(3-nitrophenyl)quinolin-4-amine?
The InChIKey is NFPQLHJFVBCTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O2/c16-10-4-5-13-14(6-7-17-15(13)8-10)18-11-2-1-3-12(9-11)19(20)21/h1-9H,(H,17,18).
What are the key properties of 7-bromo-N-(3-nitrophenyl)quinolin-4-amine?
7-bromo-N-(3-nitrophenyl)quinolin-4-amine has a molecular weight of 344.17 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(3-nitrophenyl)quinolin-4-amine is sourced from PubChem (CID 50877848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).